SCHEMBL3095508

SCHEMBL3095508

O=C(CCCc1ccccc1)CC(O)CCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.72
TRPV1 Q8NER1 4/20 0.63
MMP12 P39900 3/20 0.55
MMP13 P45452 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP14 P50281 1/20 0.55
DPP4 P27487 1/20 0.55
HDAC3 O15379 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27614757 0.90 TRPA1 (0.77) TRPA1TRPV1MMP12MMP13POLB
SCHEMBL28318045 0.90 TRPA1 (0.77) TRPA1TRPV1MMP12MMP13POLB
SCHEMBL31272029 0.90 TRPA1 (0.77) TRPA1TRPV1MMP12MMP13POLB
SCHEMBL3089814 0.87 TRPA1 (0.81) TRPA1TRPV1HDAC3HDAC1HDAC2
SCHEMBL3098659 0.83 MMP12 (0.58) TRPA1TRPV1MMP12MMP13POLB
SCHEMBL27636080 0.83 TRPV1 (0.80) TRPA1TRPV1MMP12MMP13POLB
SCHEMBL27687808 0.83 TRPV1 (0.80) TRPA1TRPV1MMP12MMP13POLB
SCHEMBL8473749 0.82 TRPA1 (0.54) TRPA1TRPV1HDAC3HDAC1HDAC2
SCHEMBL8532283 0.81 TRPA1 (0.77) TRPA1TRPV1
SCHEMBL5577068 0.81 MMP12 (0.60) TRPA1TRPV1MMP12MMP13POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
EP-2227449-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY Pulkkinen, Juha (FI) 2010-09-15 EP disclosed
WO-2009066008-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 WO disclosed
WO-2009066008-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY HSD17B11, HSD17B7, CYP19A1 TRPA1 4348/4885TRPV1 3501/4885MMP12 2359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.